Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3can_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N HIS 31.A O no hydrogen 2.862 N/A PHE 6.A N ALA 33.A O no hydrogen 2.985 N/A GLY 8.A N ASP 35.A OD2 no hydrogen 2.895 N/A LEU 12.A N GLY 9.A O no hydrogen 3.150 N/A LEU 13.A N GLU 10.A O no hydrogen 2.981 N/A HIS 14.A N PRO 11.A O no hydrogen 3.007 N/A HIS 14.A ND1 GLU 10.A O no hydrogen 3.082 N/A LEU 18.A N HIS 14.A O no hydrogen 2.831 N/A ILE 19.A N PRO 15.A O no hydrogen 3.053 N/A ASP 20.A N GLU 16.A O no hydrogen 2.978 N/A ILE 21.A N PHE 17.A O no hydrogen 2.915 N/A LEU 22.A N LEU 18.A O no hydrogen 2.855 N/A LYS 23.A N ILE 19.A O no hydrogen 2.831 N/A ARG 24.A N ASP 20.A O no hydrogen 3.005 N/A ARG 24.A NE ASP 20.A OD2 no hydrogen 2.911 N/A CYS 25.A N ILE 21.A O no hydrogen 2.909 N/A CYS 25.A SG ILE 21.A O no hydrogen 3.437 N/A GLY 26.A N LEU 22.A O no hydrogen 2.943 N/A GLN 27.A N LYS 23.A O no hydrogen 3.112 N/A GLN 28.A N ARG 24.A O no hydrogen 3.340 N/A GLY 29.A N GLY 26.A O no hydrogen 2.977 N/A ILE 30.A N CYS 25.A O no hydrogen 3.028 N/A ARG 32.A N GLU 52.A OE1 no hydrogen 2.776 N/A ARG 32.A NE GLU 52.A OE1 no hydrogen 2.922 N/A ARG 32.A NH1 LEU 22.A O no hydrogen 2.938 N/A ARG 32.A NH2 GLU 52.A OE1 no hydrogen 3.547 N/A ARG 32.A NH2 GLU 52.A OE2 no hydrogen 2.846 N/A ALA 33.A N VAL 4.A O no hydrogen 2.973 N/A VAL 34.A N LEU 53.A O no hydrogen 3.065 N/A ASP 35.A N PHE 6.A O no hydrogen 2.848 N/A THR 36.A N LEU 55.A O no hydrogen 3.094 N/A THR 37.A N ASP 35.A OD1 no hydrogen 2.983 N/A THR 37.A OG1 ASP 35.A OD1 no hydrogen 2.550 N/A LEU 39.A N THR 36.A O no hydrogen 3.101 N/A THR 44.A N ARG 41.A O no hydrogen 2.997 N/A VAL 45.A N ARG 41.A O no hydrogen 3.189 N/A ASP 46.A N LYS 42.A O no hydrogen 3.005 N/A GLU 47.A N GLU 43.A O no hydrogen 3.033 N/A VAL 48.A N THR 44.A O no hydrogen 2.856 N/A ARG 49.A NE GLU 47.A OE1.A no hydrogen 3.013 N/A ARG 49.A NH1 GLU 47.A OE1.A no hydrogen 2.949 N/A ASN 50.A N VAL 48.A O no hydrogen 2.877 N/A ASN 50.A ND2 GLU 47.A O no hydrogen 2.821 N/A ASN 50.A ND2 GLU 47.A OE2.A no hydrogen 3.142 N/A CYS 51.A SG VAL 48.A O no hydrogen 3.389 N/A CYS 51.A SG LEU 53.A O no hydrogen 3.672 N/A GLU 52.A N ARG 32.A O no hydrogen 2.925 N/A LEU 54.A N PRO 89.A O no hydrogen 3.087 N/A LEU 55.A N VAL 34.A O no hydrogen 2.915 N/A ILE 56.A N TYR 91.A O no hydrogen 2.942 N/A ASP 57.A N THR 37.A OG1 no hydrogen 2.908 N/A LEU 58.A N ARG 93.A O no hydrogen 2.856 N/A LYS 59.A NZ.B ASP 57.A OD2 no hydrogen 3.414 N/A SER 60.A OG ASP 61.A O no hydrogen 3.372 N/A SER 60.A OG ASN 106.A OD1 no hydrogen 3.510 N/A SER 62.A OG ASN 73.A OD1 no hydrogen 3.260 N/A SER 62.A OG GLU 74.A OE1 no hydrogen 2.839 N/A THR 63.A N ASP 61.A OD1 no hydrogen 2.941 N/A VAL 64.A N ASP 61.A OD1 no hydrogen 3.278 N/A HIS 65.A N ASP 61.A O no hydrogen 2.946 N/A GLN 66.A N SER 62.A O no hydrogen 2.798 N/A THR 67.A N THR 63.A O no hydrogen 2.996 N/A THR 67.A OG1 THR 63.A O no hydrogen 3.034 N/A PHE 68.A N VAL 64.A O no hydrogen 3.082 N/A CYS 69.A N HIS 65.A O no hydrogen 2.725 N/A ASP 70.A N GLN 66.A O no hydrogen 2.882 N/A ASN 73.A N SER 62.A OG no hydrogen 3.095 N/A ASN 73.A ND2 SER 60.A O no hydrogen 2.963 N/A GLU 74.A N GLU 74.A OE1 no hydrogen 2.722 N/A LEU 77.A N ASN 73.A O no hydrogen 2.968 N/A LYS 78.A N GLU 74.A O no hydrogen 3.061 N/A ASN 79.A N LEU 75.A O no hydrogen 2.899 N/A ASN 79.A ND2 THR 36.A O no hydrogen 3.261 N/A ASN 79.A ND2 THR 37.A O no hydrogen 3.263 N/A ASN 79.A ND2 LEU 39.A O no hydrogen 2.674 N/A ILE 80.A N ILE 76.A O no hydrogen 3.065 N/A ARG 81.A N LEU 77.A O no hydrogen 3.045 N/A ARG 82.A N LYS 78.A O no hydrogen 2.866 N/A ARG 82.A NE ASP 46.A OD1 no hydrogen 3.162 N/A ARG 82.A NH1 ASP 46.A OD2 no hydrogen 3.052 N/A VAL 83.A N ASN 79.A O no hydrogen 3.035 N/A ALA 84.A N ILE 80.A O no hydrogen 3.012 N/A GLU 85.A N ARG 81.A O no hydrogen 2.850 N/A ALA 86.A N ARG 82.A O no hydrogen 3.025 N/A ALA 86.A N VAL 83.A O no hydrogen 3.181 N/A ASP 87.A N ALA 84.A O no hydrogen 3.070 N/A PHE 88.A N VAL 83.A O no hydrogen 3.424 N/A TYR 90.A OH ARG 119.A O no hydrogen 2.709 N/A TYR 91.A N LEU 54.A O no hydrogen 2.870 N/A ILE 92.A N ILE 123.A O no hydrogen 3.143 N/A ARG 93.A N ILE 56.A O no hydrogen 2.963 N/A ARG 93.A NE ASP 57.A OD1 no hydrogen 3.156 N/A ILE 94.A N ASN 125.A O no hydrogen 2.853 N/A LEU 96.A N LEU 127.A O no hydrogen 2.848 N/A ILE 97.A N ASN 101.A OD1 no hydrogen 2.809 N/A GLU 98.A N GLN 133.A O no hydrogen 2.949 N/A VAL 100.A N ILE 97.A O no hydrogen 2.996 N/A ASN 101.A N ILE 97.A O no hydrogen 3.102 N/A ASN 101.A ND2 LYS 59.A O.A no hydrogen 2.752 N/A ASN 101.A ND2 LYS 59.A O.B no hydrogen 2.808 N/A ASN 101.A ND2 PRO 95.A O no hydrogen 2.680 N/A ASN 106.A N ASP 103.A OD2 no hydrogen 3.021 N/A ASN 106.A ND2 ASN 101.A O no hydrogen 3.036 N/A ILE 107.A N ASP 103.A O no hydrogen 3.142 N/A LYS 108.A N GLU 104.A O no hydrogen 2.831 N/A LYS 108.A NZ GLU 104.A OE2 no hydrogen 2.793 N/A LEU 109.A N LYS 105.A O no hydrogen 2.882 N/A SER 110.A N ASN 106.A O no hydrogen 2.888 N/A SER 110.A OG ASN 106.A O no hydrogen 2.764 N/A ALA 111.A N ILE 107.A O no hydrogen 2.888 N/A GLU 112.A N LYS 108.A O no hydrogen 2.864 N/A PHE 113.A N LEU 109.A O no hydrogen 2.994 N/A LEU 114.A N SER 110.A O no hydrogen 3.001 N/A ALA 115.A N ALA 111.A O no hydrogen 2.777 N/A SER 116.A N GLU 112.A O no hydrogen 3.284 N/A SER 116.A N PHE 113.A O no hydrogen 3.233 N/A SER 116.A OG GLU 112.A O no hydrogen 3.425 N/A SER 116.A OG PHE 113.A O no hydrogen 2.622 N/A LEU 117.A N LEU 114.A O no hydrogen 3.139 N/A ARG 119.A NH1 ASP 87.A OD1 no hydrogen 3.121 N/A ARG 119.A NH2 GLU 122.A OE2 no hydrogen 2.928 N/A HIS 120.A NE2 ALA 115.A O no hydrogen 2.944 N/A GLU 122.A N TYR 90.A O no hydrogen 2.773 N/A ILE 124.A N LYS 153.A O no hydrogen 2.776 N/A ASN 125.A N ILE 92.A O no hydrogen 2.800 N/A LEU 126.A N THR 155.A O no hydrogen 2.838 N/A LEU 127.A N ILE 94.A O no hydrogen 2.920 N/A TYR 129.A N LEU 96.A O no hydrogen 2.897 N/A THR 134.A OG1 TYR 129.A O no hydrogen 2.575 N/A VAL 139.A N SER 136.A OG no hydrogen 3.050 N/A GLN 140.A N SER 136.A O no hydrogen 2.940 N/A GLN 140.A NE2 PRO 135.A O no hydrogen 2.803 N/A GLN 141.A N GLU 137.A O no hydrogen 3.024 N/A GLN 142.A N GLU 138.A O no hydrogen 2.927 N/A CYS 143.A N VAL 139.A O no hydrogen 2.869 N/A CYS 143.A SG ALA 102.A O no hydrogen 4.026 N/A CYS 143.A SG VAL 139.A O no hydrogen 3.322 N/A ILE 144.A N GLN 140.A O no hydrogen 3.048 N/A GLN 145.A N GLN 141.A O no hydrogen 2.876 N/A GLN 145.A NE2 ASP 149.A OD1 no hydrogen 2.738 N/A ILE 146.A N GLN 142.A O no hydrogen 3.008 N/A LEU 147.A N CYS 143.A O no hydrogen 3.160 N/A THR 148.A N ILE 144.A O no hydrogen 2.965 N/A THR 148.A OG1 ILE 144.A O no hydrogen 2.749 N/A ASP 149.A N GLN 145.A O no hydrogen 2.755 N/A TYR 150.A N ILE 146.A O no hydrogen 3.193 N/A TYR 150.A N LEU 147.A O no hydrogen 3.177 N/A TYR 150.A OH GLU 112.A OE2 no hydrogen 2.616 N/A GLY 151.A N THR 148.A O no hydrogen 2.919 N/A LEU 152.A N LEU 147.A O no hydrogen 3.066 N/A THR 155.A N ILE 124.A O no hydrogen 2.937 N/A GLY 157.A N LEU 126.A O no hydrogen 2.747 N/A